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Ethyl 4-[(3-oxobutyl)amino]benzoate
TL;DR: Ethyl 4-[(3-oxobutyl)amino]benzoate (CAS 488-15-3) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-oxobutylamino)benzoate
Also Known As: NCIOpen2_004912, ethyl 4-[(3-oxobutyl)amino]benzoate, Piperazine,1-(4-butylphenyl), 4-(4-butyl-phenyl)-piperazine, ethyl 4-(3-oxobutylamino)benzoate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 488-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCCC(=O)C |
| InChIKey | NSNWTQNUVXLMQX-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(3-oxobutyl)amino]benzoate (CAS 488-15-3), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 4-(3-oxobutylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(3-oxobutyl)amino]benzoate
Property Insights of Ethyl 4-[(3-oxobutyl)amino]benzoate
The XLogP value of 3.0 indicates that Ethyl 4-[(3-oxobutyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-[(3-oxobutyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(3-oxobutyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(3-oxobutyl)amino]benzoate?
The CAS number of Ethyl 4-[(3-oxobutyl)amino]benzoate is 488-15-3.
What is the molecular formula of Ethyl 4-[(3-oxobutyl)amino]benzoate?
The molecular formula of Ethyl 4-[(3-oxobutyl)amino]benzoate is C13H17NO3.
What is the molecular weight of Ethyl 4-[(3-oxobutyl)amino]benzoate?
The molecular weight of Ethyl 4-[(3-oxobutyl)amino]benzoate is 235.12 g/mol.
Where can I buy Ethyl 4-[(3-oxobutyl)amino]benzoate?
You can request a quote for Ethyl 4-[(3-oxobutyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(3-oxobutyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-oxobutyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.